5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole

C19H21NO — CID 134591231

IUPAC5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCCCc1ccc(-c2ccc(C3=NOC(C)C3)cc2)cc1
InChIInChI=1S/C19H21NO/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14(2)21-20-19/h5-12,14H,3-4,13H2,1-2H3
InChIKeySKOWQLVLIVBYRG-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.82
Rot. Bonds4

About 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole

5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 134591231) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID134591231
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCCCc1ccc(-c2ccc(C3=NOC(C)C3)cc2)cc1
InChIInChI=1S/C19H21NO/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14(2)21-20-19/h5-12,14H,3-4,13H2,1-2H3
InChIKeySKOWQLVLIVBYRG-UHFFFAOYSA-N
XLogP4.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 134591231) is 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole is CCCc1ccc(-c2ccc(C3=NOC(C)C3)cc2)cc1.
What is the InChIKey of 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is SKOWQLVLIVBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14(2)21-20-19/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole?
5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 134591231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).